1,2,2,4-tetrachlorobutane

C4H6Cl4 — CID 579600

IUPAC1,2,2,4-tetrachlorobutane
SMILESClCCC(Cl)(Cl)CCl
InChIInChI=1S/C4H6Cl4/c5-2-1-4(7,8)3-6/h1-3H2
InChIKeyKVDHZPQOODBZDP-UHFFFAOYSA-N
MW195.90 g/mol
LogP3.03
Rot. Bonds3

About 1,2,2,4-tetrachlorobutane

1,2,2,4-tetrachlorobutane (PubChem CID 579600) has the molecular formula C4H6Cl4 and a molecular weight of 195.90 g/mol. Its IUPAC name is 1,2,2,4-tetrachlorobutane.

Molecular Properties

Compound Name1,2,2,4-tetrachlorobutane
PubChem CID579600
Molecular FormulaC4H6Cl4
Molecular Weight195.90 g/mol
Exact Mass193.92
IUPAC Name1,2,2,4-tetrachlorobutane
SMILESClCCC(Cl)(Cl)CCl
InChIInChI=1S/C4H6Cl4/c5-2-1-4(7,8)3-6/h1-3H2
InChIKeyKVDHZPQOODBZDP-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.90
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetrachlorobutane?
The IUPAC name of 1,2,2,4-tetrachlorobutane (CID 579600) is 1,2,2,4-tetrachlorobutane.
What is the SMILES notation for 1,2,2,4-tetrachlorobutane?
The canonical SMILES for 1,2,2,4-tetrachlorobutane is ClCCC(Cl)(Cl)CCl.
What is the InChIKey of 1,2,2,4-tetrachlorobutane?
The InChIKey is KVDHZPQOODBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl4/c5-2-1-4(7,8)3-6/h1-3H2.
What are the key properties of 1,2,2,4-tetrachlorobutane?
1,2,2,4-tetrachlorobutane has a molecular weight of 195.90 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetrachlorobutane is sourced from PubChem (CID 579600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).